Drug designing
Drug resistance is an international issue, right now antibiotic resistant pathogens kills approximately 7 lac people across the globe and can possibly kill more people than cancer in future. A widely cited 2003 study estimated that new drugs cost on average around US$800 million to develop. The
2025-06-28 16:32:13 - Adil Khan
Drug designing
Project Area of Specialization Artificial IntelligenceProject SummaryDrug resistance is an international issue, right now antibiotic resistant pathogens kills approximately 7 lac people across the globe and can possibly kill more people than cancer in future. A widely cited 2003 study estimated that new drugs cost on average around US$800 million to develop. The cost raised to over $1 billion in 2013. A new analysis by the same authors using similar methodology now instead puts the cost at $2.6 billion dollars, up by 145%.
Prevalence of Helicobacter pylori infection is higher in developing countries including Pakistan. H.pylori causes gastrointestinal diseases, especially peptic and duodenal ulcers as well as gastric cancer. H.pylori infection has emerged as one of the most common chronic bacterial infections worldwide and affects nearly 50% of the world’s population, with most of the infections occurring in the first decade of life. It has been demonstrated that risk of H. pylori infection in developing countries with low socioeconomic status is much higher (> 80%) than that in developed countries (< 40%). H.pylori is one of the Drug resistant bacteria that is acquiring antibiotic resistance at an alarming rate and needs to be addressed.
The basic purpose of this study is to design an effective drug against Helicobacter pylori. Lab testing will be performed once the inhibitor is identified to check its effectiveness and dose prescription.
Project Objectives
- To identify drug target protein that is vital for the survival among the Helicobacter pylori proteome.
- To identify potential inhibitors that would target the subjected protein and stop its activity there by resulting in the death of Helicobacter pylori.
- Lab testing of effectiveness of the identified inhibitor.
The project will be completed in two separate phases.
1) Drug target will be identified using subtractive proteomics approaches. The total proteome of H.pylori will be obtained from protein databank (pdb) and will be subjected to multiple filtering steps in order to to find out a ptotential drug target. It will be ensured via Blastp search that the final drug target do not have human homolog. Furthermore. To ensure that the bacteria will not survive such a protein will be targeted that is vital for the survival of H.pylori, KASS server willl be used for this step. After identification of drug target protein, inhibitors will be identiifed through screening of the online libraries such as ZINC and Chembridge (the methdodlogy is used in several studies for designing drugs) [1-4].
2) The identified inhibitors will be tested in lab to find out its effectiveness and calculate dose perscription. the effectiveness of the inhibitor against the H.pylori will be tested using Disk diffusion test and Etest [5].
Refrences:
1. Wadood A, Jamal A, Riaz M, Khan A, Uddin R, Jelani M, Azam SS, Subtractive genome analysis for in silico identification and characterization of novel drug targets in Streptococcus pneumonia strain JJA, Microbial Pathogenesis (2018), doi: 10.1016/ j.micpath.2017.12.063.
2. John J. Georrge, V. V. Umrania, Subtractive Genomics Approach to Identify Putative Drug Targets and Identification of Drug-like Molecules for Beta Subunit of DNA Polymerase III in Streptococcus Species, Appl Biochem Biotechnol (2012) 167:1377–1395 DOI 10.1007/s12010-012-9620-0
3. U. Amineni & D. Pradhan & H. Marisetty, In silico identification of common putative drug targets in Leptospira interrogans, J Chem Biol (2010) 3:165–173 DOI 10.1007/s12154-010-0039-1.
4. Uddin R, Zahra N-ul-Ain, Azam SS, Identi?cation of Glucosyl-3-Phosphoglycertae Phosphatase as a Novel Drug Target against Resistant Strain of Mycobacterium tuberculosis (XDR1219) by using Comparative Metabolic Pathway Approach, Computational Biology and Chemistry (2019), https://doi.org/10.1016/j.compbiolchem.2019.01.011
5. Prescott's Microbiology, Ninth edition, chapter 9, antimicrobial chemotherapy, pg 189-206.
Benefits of the ProjectThis study will enable us to provide better perpective of antibiotic resistance of H.pylori against currently in use antibiotics. It will enbale us to design a potential drug against H.pylori identified drug targets using computational biology approaches and lab testing of the identified drug to potentially reduce the future outbreak of H.pylori infections.
Technical Details of Final Deliverable- A research paper can be published from this project.
- Two students can complete their gradutaion thesis from the project.
- The identied drug can be commercialized by the pharmaceutical industry after fruther testing and evaluation.
- The identified drug can be patented.
| Item Name | Type | No. of Units | Per Unit Cost (in Rs) | Total (in Rs) |
|---|---|---|---|---|
| Total in (Rs) | 160000 | |||
| Nutrient agar | Equipment | 1 | 7500 | 7500 |
| BIOMIC disk diffusion | Equipment | 5 | 500 | 2500 |
| Travel cost, printing, stationary | Miscellaneous | 10 | 1000 | 10000 |
| Inhibitors | Equipment | 1 | 15000 | 15000 |
| Computer and accessories | Equipment | 1 | 45000 | 45000 |
| Nutrient agar | Equipment | 1 | 7500 | 7500 |
| BIOMIC disk diffusion | Equipment | 5 | 500 | 2500 |
| Travel cost, printing, stationary | Miscellaneous | 10 | 1000 | 10000 |
| Inhibitors | Equipment | 1 | 15000 | 15000 |
| Computer and accessories | Equipment | 1 | 45000 | 45000 |